Sugi Predict

Sugi Predict / Compounds / SCHEMBL6949133

SCHEMBL6949133

SCHEMBL6949133

COc1cc2c(Nc3ccc(F)c(NC(=O)c4ccccc4)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.82
▸ KDR P35968 9/20 0.82
▸ AURKA O14965 6/20 0.82
▸ AURKB Q96GD4 2/20 0.82
▸ LCK P06239 2/20 0.82
▸ RET P07949 2/20 0.82
▸ MET P08581 2/20 0.82
▸ MAPT P10636 2/20 0.82
▸ SRC P12931 2/20 0.82
▸ LTK P29376 2/20 0.82
▸ TNK2 Q07912 2/20 0.82
▸ MAP4K5 Q9Y4K4 2/20 0.82
▸ ROCK2 O75116 1/20 0.82
▸ ALDH1A1 P00352 1/20 0.82
▸ FYN P06241 1/20 0.82
▸ PDGFRA P16234 1/20 0.82
▸ TTK P33981 1/20 0.82
▸ MAP2K2 P36507 1/20 0.82
▸ MAP2K1 Q02750 1/20 0.82
▸ BTK Q06187 1/20 0.82

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL597105 0.91 EGFR (1.00) EGFRKDRAURKAAURKBLCK
SCHEMBL29377224 0.91 EGFR (1.00) EGFRKDRAURKAAURKBLCK
SCHEMBL15519470 0.88 HDAC1 (1.00) EGFRKDRAURKAAURKBLCK
SCHEMBL6794349 0.86 MAPK14 (0.81) EGFRKDRAURKAAURKBMAPK14
SCHEMBL30416288 0.85 EGFR (0.86) EGFRKDRLCKRETMET
SCHEMBL22383954 0.85 EGFR (0.86) EGFRKDRLCKRETMET
SCHEMBL11304 0.85 EGFR (0.86) EGFRKDRLCKRETMET
SCHEMBL15579855 0.85 HDAC1 (1.00) EGFRKDRAURKAAURKBLCK
Gefitinib SCHEMBL17241429 0.84 EGFR (0.90) EGFRKDRAURKALCKRET
Gefitinib SCHEMBL28947586 0.83 EGFR (0.88) EGFRKDRAURKALCKRET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716847-B2 ANTIALLERGENS, ANTIINFLAMMATORY ASTRAZENECA AB (SE) 2004-04-06 — — US disclosed
US-20030216417-A1 Substituted anilino-quinoline compounds and use thereof ASTRAZENECA AB 2003-11-20 — — US disclosed
US-6593333-B1 Processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines. Tumour Necrosis Factor (hereinafter TNF), for example TNF alpha , and various ASTRAZENECA AB (SE) 2003-07-15 — — US disclosed
EP-1117653-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-02-05 — — EP disclosed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 — — EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030216417-A1 Substituted anilino-quinoline compounds and use thereof IL6, IL6ST, IL1A EGFR 1141/4885KDR 1414/4885AURKA 1171/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.